ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

C15H18N2O2 — CID 2937007

IUPACethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
SMILESCCOC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1
InChIInChI=1S/C15H18N2O2/c1-3-19-15(18)17-7-6-14-12(9-17)11-8-10(2)4-5-13(11)16-14/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyHSVKCHIAGOIUCK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds1

About ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate (PubChem CID 2937007) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
PubChem CID2937007
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
SMILESCCOC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1
InChIInChI=1S/C15H18N2O2/c1-3-19-15(18)17-7-6-14-12(9-17)11-8-10(2)4-5-13(11)16-14/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyHSVKCHIAGOIUCK-UHFFFAOYSA-N
XLogP2.99
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The IUPAC name of ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate (CID 2937007) is ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate.
What is the SMILES notation for ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The canonical SMILES for ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate is CCOC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1.
What is the InChIKey of ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
The InChIKey is HSVKCHIAGOIUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-15(18)17-7-6-14-12(9-17)11-8-10(2)4-5-13(11)16-14/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate?
ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate is sourced from PubChem (CID 2937007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).